(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride

C24H27Cl2F3N6O2 — CID 20678783

IUPAC(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
SMILESCc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NC[C@H](c3ccccc3)C(F)(F)F)c(=O)n21.Cl.Cl
InChIInChI=1S/C24H25F3N6O2.2ClH/c1-14-16(7-10-20(28)32-14)11-31-22(34)19-9-8-17-12-29-21(23(35)33(17)19)30-13-18(24(25,26)27)15-5-3-2-4-6-15;;/h2-7,10,12,18-19H,8-9,11,13H2,1H3,(H2,28,32)(H,29,30)(H,31,34);2*1H/t18-,19+;;/m1../s1
InChIKeyUCHMXQHYMZZEDO-QNCHGCKQSA-N
MW559.42 g/mol
LogP3.93
Rot. Bonds7

About (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride (PubChem CID 20678783) has the molecular formula C24H27Cl2F3N6O2 and a molecular weight of 559.42 g/mol. Its IUPAC name is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
PubChem CID20678783
Molecular FormulaC24H27Cl2F3N6O2
Molecular Weight559.42 g/mol
Exact Mass558.15
IUPAC Name(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
SMILESCc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NC[C@H](c3ccccc3)C(F)(F)F)c(=O)n21.Cl.Cl
InChIInChI=1S/C24H25F3N6O2.2ClH/c1-14-16(7-10-20(28)32-14)11-31-22(34)19-9-8-17-12-29-21(23(35)33(17)19)30-13-18(24(25,26)27)15-5-3-2-4-6-15;;/h2-7,10,12,18-19H,8-9,11,13H2,1H3,(H2,28,32)(H,29,30)(H,31,34);2*1H/t18-,19+;;/m1../s1
InChIKeyUCHMXQHYMZZEDO-QNCHGCKQSA-N
XLogP3.93
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.42
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?
The IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride (CID 20678783) is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride.
What is the SMILES notation for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?
The canonical SMILES for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride is Cc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NC[C@H](c3ccccc3)C(F)(F)F)c(=O)n21.Cl.Cl.
What is the InChIKey of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?
The InChIKey is UCHMXQHYMZZEDO-QNCHGCKQSA-N. The full InChI is InChI=1S/C24H25F3N6O2.2ClH/c1-14-16(7-10-20(28)32-14)11-31-22(34)19-9-8-17-12-29-21(23(35)33(17)19)30-13-18(24(25,26)27)15-5-3-2-4-6-15;;/h2-7,10,12,18-19H,8-9,11,13H2,1H3,(H2,28,32)(H,29,30)(H,31,34);2*1H/t18-,19+;;/m1../s1.
What are the key properties of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride?
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride has a molecular weight of 559.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2S)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride is sourced from PubChem (CID 20678783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).